SCHEMBL29629095

SCHEMBL29629095

C(=Cc1cccc(Oc2cccc(C=Cc3ccccc3)c2C=Cc2ccccc2)c1C=Cc1ccccc1)c1ccccc1.O=C(O)CC(C(=O)O)S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.40
TRPA1 O75762 2/20 0.40
EPOR P19235 1/20 0.35
PDCD1 Q15116 5/20 0.34
CD274 Q9NZQ7 5/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2843586 1.00 NFE2L2 (0.40) NFE2L2TRPA1EPORPDCD1CD274
Sulfuric Acid SCHEMBL1170799 0.82 NFE2L2 (0.49) NFE2L2TRPA1PPARG
Sulfuric Acid SCHEMBL29699491 0.82 NFE2L2 (0.49) NFE2L2TRPA1PPARG
Ether SCHEMBL2843584 0.81 NFE2L2 (0.39) NFE2L2TRPA1PDCD1CD274PPARG
Sulfuric Acid SCHEMBL29652042 0.81 NFE2L2 (0.47) NFE2L2TRPA1PPARG
Sulfuric Acid SCHEMBL29157758 0.81 NFE2L2 (0.47) NFE2L2TRPA1PPARG
Sulfuric Acid SCHEMBL29157761 0.81 NFE2L2 (0.47) NFE2L2TRPA1PPARG
SCHEMBL21144492 0.80 MEN1 (0.41) NFE2L2TRPA1NPC1
SCHEMBL1135894 0.78 NFE2L2 (0.56) NFE2L2TRPA1
SCHEMBL29896073 0.78 NFE2L2 (0.56) NFE2L2TRPA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111315788-B Isobutylene copolymer, method of making isobutylene copolymer, and isobutylene copolymer product TPC集团有限责任公司 2023-08-15 CN disclosed
US-11326004-B2 Isobutylene copolymers, method for making isobutylene copolymers and isobutylene copolymer products TPC GROUP LLC (US) 2022-05-10 US disclosed